CID 148610359

C42H43AlO5 — CID 148610359

IUPAC—
SMILES[Al]Cc1ccccc1OC1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C42H43O5.Al/c1-32-16-14-15-25-38(32)47-39-26-37(31-43-27-33-17-6-2-7-18-33)40(44-28-34-19-8-3-9-20-34)42(46-30-36-23-12-5-13-24-36)41(39)45-29-35-21-10-4-11-22-35;/h2-25,37,39-42H,1,26-31H2;/t37-,39?,40-,41+,42+;/m1./s1
InChIKeyMNXLDYYSIDMQTP-FGNGUOBQSA-N
MW654.78 g/mol
LogP8.10
Rot. Bonds16

About CID 148610359

CID 148610359 (PubChem CID 148610359) has the molecular formula C42H43AlO5 and a molecular weight of 654.78 g/mol.

Molecular Properties

Compound NameCID 148610359
PubChem CID148610359
Molecular FormulaC42H43AlO5
Molecular Weight654.78 g/mol
Exact Mass654.29
IUPAC Name—
SMILES[Al]Cc1ccccc1OC1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C42H43O5.Al/c1-32-16-14-15-25-38(32)47-39-26-37(31-43-27-33-17-6-2-7-18-33)40(44-28-34-19-8-3-9-20-34)42(46-30-36-23-12-5-13-24-36)41(39)45-29-35-21-10-4-11-22-35;/h2-25,37,39-42H,1,26-31H2;/t37-,39?,40-,41+,42+;/m1./s1
InChIKeyMNXLDYYSIDMQTP-FGNGUOBQSA-N
XLogP8.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
4-(4-cyclopropylphenyl)-3-[(1R,2S,3R,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypyridine
CID 67459523
(4-cyclopropylphenyl)-[3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxy-4-pyridinyl]methanol
CID 67468679
[(1S,2S,3S,5R,6R)-3-azido-2,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxymethylbenzene
CID 10507155
4-[chloro-(4-cyclopropylphenyl)methyl]-3-[2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxypyridine
CID 67460223
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-prop-2-enylphenoxy)oxane
CID 102451516
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
[(5R,6S)-5,6-bis(phenylmethoxy)cyclohex-3-en-1-yl]methoxymethylbenzene
CID 138969880
(2S,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4-methoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexyl]oxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 135050697
diphenyl [(1R,2R,3S,4S,5R)-2,3,4,5-tetrakis(phenylmethoxy)cyclohexyl]methyl phosphate
CID 11228060

Frequently Asked Questions

What is the IUPAC name of CID 148610359?
The IUPAC name of CID 148610359 (CID 148610359) is not available.
What is the SMILES notation for CID 148610359?
The canonical SMILES for CID 148610359 is [Al]Cc1ccccc1OC1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of CID 148610359?
The InChIKey is MNXLDYYSIDMQTP-FGNGUOBQSA-N. The full InChI is InChI=1S/C42H43O5.Al/c1-32-16-14-15-25-38(32)47-39-26-37(31-43-27-33-17-6-2-7-18-33)40(44-28-34-19-8-3-9-20-34)42(46-30-36-23-12-5-13-24-36)41(39)45-29-35-21-10-4-11-22-35;/h2-25,37,39-42H,1,26-31H2;/t37-,39?,40-,41+,42+;/m1./s1.
What are the key properties of CID 148610359?
CID 148610359 has a molecular weight of 654.78 g/mol, XLogP of 8.10, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148610359 is sourced from PubChem (CID 148610359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).